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Chemical ID: 6553624
Chemical ID:
6553624
Name [?]:
ethyl 1-[[2-(4-phenylphenyl)-4-quinolyl]carbonyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)c2cc(nc3c2cccc3)c4ccc(cc4)c5ccccc5
InChi [?]:
InChI=1/C30H28N2O3/c1-2-35-30(34)24-16-18-32(19-17-24)29(33)26-20-28(31-27-11-7-6-10-25(26)27)23-14-12-22(13-15-23)21-8-4-3-5-9-21/h3-15,20,24H,2,16-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,33,32,34,21,22,31,35,20,23,26,28,25,29,7,11,8,10,15,30,27,24,6,19,14,18,16,12,4,17,9,13,5,3/E:(4,5)(8,9)(12,13)(14,15)(16,17)(18,19)/rA:35nCCOCOCCCNCCCOCCCNCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s16;s24;d25;s26;d27;d24s28;s27;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H28N2O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.2942 |
Area: | 723.254 |
Solvation: | -3.78713 |
Coulombic: | -44.4563 |
Bond Count [?]
All: | 39 |
Single: | 26 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 464.555 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.3 |
LogP (Chemaxon): | 5.47 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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